2-[5-chloro-3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]-N,N-dimethylethanamine

C20H23ClN2 — CID 10925451

IUPAC2-[5-chloro-3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]-N,N-dimethylethanamine
SMILESCC(C1=C(CCN(C)C)Cc2ccc(Cl)cc21)c1ccccn1
InChIInChI=1S/C20H23ClN2/c1-14(19-6-4-5-10-22-19)20-16(9-11-23(2)3)12-15-7-8-17(21)13-18(15)20/h4-8,10,13-14H,9,11-12H2,1-3H3
InChIKeyLQOJFNRTYZDTBR-UHFFFAOYSA-N
MW326.87 g/mol
LogP4.80
Rot. Bonds5

About 2-[5-chloro-3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]-N,N-dimethylethanamine

2-[5-chloro-3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]-N,N-dimethylethanamine (PubChem CID 10925451) has the molecular formula C20H23ClN2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 2-[5-chloro-3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-chloro-3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]-N,N-dimethylethanamine
PubChem CID10925451
Molecular FormulaC20H23ClN2
Molecular Weight326.87 g/mol
Exact Mass326.15
IUPAC Name2-[5-chloro-3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]-N,N-dimethylethanamine
SMILESCC(C1=C(CCN(C)C)Cc2ccc(Cl)cc21)c1ccccn1
InChIInChI=1S/C20H23ClN2/c1-14(19-6-4-5-10-22-19)20-16(9-11-23(2)3)12-15-7-8-17(21)13-18(15)20/h4-8,10,13-14H,9,11-12H2,1-3H3
InChIKeyLQOJFNRTYZDTBR-UHFFFAOYSA-N
XLogP4.80
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-chloro-3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]-N,N-dimethylethanamine (CID 10925451) is 2-[5-chloro-3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-chloro-3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-chloro-3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]-N,N-dimethylethanamine is CC(C1=C(CCN(C)C)Cc2ccc(Cl)cc21)c1ccccn1.
What is the InChIKey of 2-[5-chloro-3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]-N,N-dimethylethanamine?
The InChIKey is LQOJFNRTYZDTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2/c1-14(19-6-4-5-10-22-19)20-16(9-11-23(2)3)12-15-7-8-17(21)13-18(15)20/h4-8,10,13-14H,9,11-12H2,1-3H3.
What are the key properties of 2-[5-chloro-3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]-N,N-dimethylethanamine?
2-[5-chloro-3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]-N,N-dimethylethanamine has a molecular weight of 326.87 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 10925451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).